N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide

C12H23N3O2S — CID 79155269

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCN(CCC(N)=S)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O2S/c1-17-10-9-15(8-5-11(13)18)12(16)14-6-3-2-4-7-14/h2-10H2,1H3,(H2,13,18)
InChIKeyNMOHJKKTSSUKDG-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.22
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 79155269) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID79155269
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCN(CCC(N)=S)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O2S/c1-17-10-9-15(8-5-11(13)18)12(16)14-6-3-2-4-7-14/h2-10H2,1H3,(H2,13,18)
InChIKeyNMOHJKKTSSUKDG-UHFFFAOYSA-N
XLogP1.22
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide
CID 113468421
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151836
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115535207
N-cyclopropyl-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 115589086
N-(2-hydroxyethyl)-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 115608967
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
CID 83137721
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 79155269) is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCN(CCC(N)=S)C(=O)N1CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is NMOHJKKTSSUKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-17-10-9-15(8-5-11(13)18)12(16)14-6-3-2-4-7-14/h2-10H2,1H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 79155269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).